CHEBI:97380 - LSM-8759

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-8759
ChEBI ID CHEBI:97380
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C25H30N4O4
Net Charge 0
Average Mass 450.531
Monoisotopic Mass 450.22671
InChI InChI=1S/C25H30N4O4/c30-15-18-20-14-28-19(9-4-10-21(28)31)23(29(20)25(33)17-8-5-11-26-13-17)22(18)24(32)27-12-16-6-2-1-3-7-16/h4-5,8-11,13,16,18,20,22-23,30H,1-3,6-7,12,14-15H2,(H,27,32)/t18-,20-,22+,23+/m0/s1
InChIKey CJMOIVLGTXOFHT-NEKRIBJYSA-N
SMILES C1CCC(CC1)CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3C(=O)C5=CN=CC=C5)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LSM-8759 (CHEBI:97380) is a aromatic carboxylic acid (CHEBI:33859)
LSM-8759 (CHEBI:97380) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual Xref Database
LSM-8759 LINCS
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